2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde

C14H8ClF3O2 — CID 172993965

IUPAC2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1c(OC(F)(F)F)cccc1-c1ccccc1Cl
InChIInChI=1S/C14H8ClF3O2/c15-12-6-2-1-4-10(12)9-5-3-7-13(11(9)8-19)20-14(16,17)18/h1-8H
InChIKeyDELOCASDEDKRNH-UHFFFAOYSA-N
MW300.66 g/mol
LogP4.72
Rot. Bonds3

About 2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde

2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde (PubChem CID 172993965) has the molecular formula C14H8ClF3O2 and a molecular weight of 300.66 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde
PubChem CID172993965
Molecular FormulaC14H8ClF3O2
Molecular Weight300.66 g/mol
Exact Mass300.02
IUPAC Name2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1c(OC(F)(F)F)cccc1-c1ccccc1Cl
InChIInChI=1S/C14H8ClF3O2/c15-12-6-2-1-4-10(12)9-5-3-7-13(11(9)8-19)20-14(16,17)18/h1-8H
InChIKeyDELOCASDEDKRNH-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993966
2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993981
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134626254
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide
CID 130293163
6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134630932
1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999624
1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene
CID 134625765
1,2,4-trichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118848876
3-[2-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
CID 168654704

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde (CID 172993965) is 2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde is O=Cc1c(OC(F)(F)F)cccc1-c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde?
The InChIKey is DELOCASDEDKRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O2/c15-12-6-2-1-4-10(12)9-5-3-7-13(11(9)8-19)20-14(16,17)18/h1-8H.
What are the key properties of 2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde?
2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde has a molecular weight of 300.66 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 172993965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).